SCHEMBL8553128

SCHEMBL8553128

O=C(NC1N=C(CN2CCOCC2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 16/20 0.56
CCKBR P32239 2/20 0.46
CCKAR P32238 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7552319 0.83 CCKBR (0.52) CCKBRCCKAR
SCHEMBL7552311 0.83 CCKBR (0.52) CCKBRCCKAR
SCHEMBL5800683 0.83 CCKBR (0.52) CCKBRCCKAR
SCHEMBL6307970 0.81 CCKBR (0.53) CCKBRCCKAR
SCHEMBL7552385 0.80 CCKBR (0.49) CCKBRCCKAR
SCHEMBL7552389 0.80 CCKBR (0.49) CCKBRCCKAR
SCHEMBL7552202 0.80 CCKBR (0.47) CCKBRCCKAR
SCHEMBL7552197 0.80 CCKBR (0.47) CCKBRCCKAR
SCHEMBL7549407 0.79 CCKBR (0.48) CCKBRCCKAR
SCHEMBL7552285 0.79 CCKBR (0.48) CCKBRCCKAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed